[QE-users] WEST CODE 3.0

Lucas Nicolás Lodeiro Moraga lucas.lodeiro at ug.uchile.cl
Thu Feb 28 16:44:59 CET 2019


Hello community.

I want to do a G0W0 calculation over HSE06 and PBE0 calculation, with WEST
code (version 3.0), but I'm facing some difficulties and discrepancies.

After I have done a G0W0 over PBEsol and PBE calculation over the same
structure (system) and the required time to complete the calculation it is
around 24 hrs, but in hybrid case the time is absurdly greater. Is this
normal?.
On the other hand, I have done a benchmark for an simple system, and i
found discrepances in the quasi-particle energy (about 0.1 and 1.0 eV)
between Gamma and GammaComplex (Kpoints = Gamma and Kpoints = Automatic 1 1
1 0 0 0 respectively).

I read the Govoni's papers, and send to him some doubts, but he did not
answer to me, for that I ask here. There are somebody with experience in
WEST code?
I need someone with whom I can talk about these issues and give feedback.

Regards!
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